#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mhs s ALA 6 N 0.00 4.44 -0.07 2.12 0.00 -1.26 -5.11 121.76 121.88 3mhs s ALA 6 Ca 0.00 -1.43 -0.21 0.00 0.00 0.00 0.00 51.96 50.32 3mhs s ALA 6 Cb 0.00 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.24 3mhs s ALA 6 CO 0.00 -0.49 0.59 -2.00 0.00 0.00 0.00 175.76 173.86 3mhs s GLU 7 N -4.32 4.37 0.12 0.00 2.12 -1.26 -5.05 118.70 114.68 3mhs s GLU 7 Ca 0.39 0.68 -0.21 0.00 0.36 0.00 0.00 54.97 56.19 3mhs s GLU 7 Cb -0.03 -3.42 -0.07 0.00 0.26 0.00 0.00 34.13 30.87 3mhs s GLU 7 CO 0.24 0.17 0.66 -1.50 -0.54 0.00 0.00 175.26 174.28 3mhs s ILE 8 N 0.52 4.59 -0.15 -3.70 2.07 -1.26 -5.00 121.20 118.27 3mhs s ILE 8 Ca 0.32 1.39 -0.01 0.00 -1.41 0.00 0.00 60.65 60.94 3mhs s ILE 8 Cb -0.17 -3.98 -0.09 0.00 0.13 0.00 0.00 42.46 38.35 3mhs s ILE 8 CO 0.15 0.51 -0.14 0.29 -1.91 0.00 0.00 174.94 173.83 3mhs n LYS 9 N 1.57 0.36 -2.04 3.50 4.76 -1.26 -5.11 118.16 119.93 3mhs n LYS 9 Ca -0.08 0.10 -0.01 0.00 -2.87 0.00 0.00 58.31 55.45 3mhs n LYS 9 Cb 0.50 -1.25 0.01 0.00 -1.84 0.00 0.00 35.03 32.45 3mhs n LYS 9 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3mhs n GLY 10 N 2.65 1.14 3.54 0.72 0.00 -1.26 -5.13 105.19 106.85 3mhs n GLY 10 Ca -0.27 -0.98 -0.37 0.00 0.00 0.00 0.00 46.02 44.40 3mhs n GLY 10 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mhs s ILE 11 N -2.45 4.81 -0.25 -0.61 1.01 -1.26 -5.05 121.20 117.40 3mhs s ILE 11 Ca 0.06 -0.00 -0.38 0.00 0.00 0.00 0.00 60.65 60.32 3mhs s ILE 11 Cb -0.01 -3.26 -0.17 0.00 0.01 0.00 0.00 42.46 39.03 3mhs s ILE 11 CO 0.01 0.32 1.19 0.29 0.00 0.00 0.00 174.94 176.76 3mhs n LYS 12 N 4.76 0.00 0.05 2.79 5.02 -1.26 -4.85 118.16 124.67 3mhs n LYS 12 Ca -0.15 0.00 0.21 0.00 -2.02 0.00 0.00 58.31 56.34 3mhs n LYS 12 Cb 0.52 -1.29 0.73 0.00 -0.02 0.00 0.00 35.03 34.97 3mhs n LYS 12 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3mhs h PRO 13 N 3.60 0.00 0.00 1.97 0.11 -2.00 -2.19 132.00 133.49 3mhs h PRO 13 Ca -0.40 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.56 3mhs h PRO 13 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3mhs h PRO 13 CO 0.73 0.00 -0.69 -0.22 -0.21 0.00 0.00 178.00 177.61 3mhs h LYS 14 N 0.00 0.00 0.25 1.05 3.64 -1.99 -2.20 116.57 117.32 3mhs h LYS 14 Ca 0.23 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 3mhs h LYS 14 Cb 1.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 3mhs h LYS 14 CO -0.00 0.69 -0.12 -0.24 -2.27 0.00 0.00 179.45 177.51 3mhs h VAL 15 N 0.00 0.81 -0.85 2.00 3.04 -1.75 -2.71 116.25 116.79 3mhs h VAL 15 Ca -0.01 -0.55 0.18 0.00 -1.01 0.00 0.00 66.70 65.31 3mhs h VAL 15 Cb 1.29 1.12 -0.06 0.00 -2.01 0.00 0.00 31.29 31.63 3mhs h VAL 15 CO 0.09 0.12 0.56 0.40 -1.01 0.00 0.00 177.57 177.73 3mhs h ILE 16 N -0.63 0.72 -0.82 3.17 2.04 -1.56 0.60 117.51 121.03 3mhs h ILE 16 Ca -0.03 -0.14 0.03 0.00 1.00 0.00 0.00 64.86 65.72 3mhs h ILE 16 Cb 0.45 0.28 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 3mhs h ILE 16 CO 0.06 0.07 0.53 -0.08 0.00 0.00 0.00 178.15 178.73 3mhs h GLU 17 N 0.40 0.99 0.00 2.37 4.57 -1.06 -3.01 114.58 118.84 3mhs h GLU 17 Ca 0.43 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.55 3mhs h GLU 17 Cb 1.06 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 29.42 3mhs h GLU 17 CO -0.15 0.66 -0.46 -1.91 -1.18 0.00 0.00 179.01 175.96 3mhs n GLU 18 N -4.58 3.96 -0.00 1.92 0.00 -0.92 -4.89 120.64 116.14 3mhs n GLU 18 Ca 0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 57.16 57.25 3mhs n GLU 18 Cb 0.09 -0.75 -0.00 0.00 0.00 0.00 0.00 31.44 30.78 3mhs n GLU 18 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3mhs n TYR 19 N -1.24 0.00 -1.78 4.31 4.01 0.21 -5.12 117.16 117.55 3mhs n TYR 19 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3mhs n TYR 19 Cb 0.03 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 3mhs n TYR 19 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3mhs n SER 20 N -2.54 0.00 0.00 7.72 7.64 -1.12 -4.94 113.62 120.38 3mhs n SER 20 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3mhs n SER 20 Cb 0.01 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 3mhs n SER 20 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mhs n GLY 26 N 0.00 0.00 3.55 0.23 0.00 -1.26 -4.63 105.19 103.08 3mhs n GLY 26 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.52 3mhs n GLY 26 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3mhs n PRO 27 N 0.00 0.87 -2.30 1.61 -0.02 -1.26 -4.93 135.00 128.97 3mhs n PRO 27 Ca 0.00 0.31 -0.34 0.00 -2.02 0.00 0.00 63.50 61.45 3mhs n PRO 27 Cb 0.00 -1.76 -0.01 0.00 -0.02 0.00 0.00 33.50 31.71 3mhs n PRO 27 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3mhs s SER 28 N -0.09 5.93 0.00 2.55 0.15 -1.26 -4.97 113.70 116.00 3mhs s SER 28 Ca 0.75 2.01 0.17 0.00 0.70 0.00 0.00 55.95 59.59 3mhs s SER 28 Cb -0.92 -2.56 -0.17 0.00 -1.71 0.00 0.00 66.02 60.65 3mhs s SER 28 CO 0.53 -1.07 0.75 -3.20 1.20 0.00 0.00 173.24 171.45 3mhs n ASN 29 N -1.36 0.90 -4.62 5.45 4.05 -1.26 -5.02 115.26 113.40 3mhs n ASN 29 Ca 0.10 -0.95 -0.29 0.00 0.45 0.00 0.00 54.58 53.89 3mhs n ASN 29 Cb 0.52 0.95 0.20 0.00 1.23 0.00 0.00 39.78 42.67 3mhs n ASN 29 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 3mhs s ASP 30 N -2.58 2.21 -0.03 1.20 1.01 -1.26 -5.05 116.67 112.17 3mhs s ASP 30 Ca 0.07 1.37 0.01 0.00 0.71 0.00 0.00 52.55 54.71 3mhs s ASP 30 Cb 0.13 -2.07 0.02 0.00 1.01 0.00 0.00 42.92 42.01 3mhs s ASP 30 CO 0.69 -3.42 -0.03 -0.55 0.21 0.00 0.00 175.17 172.07 3mhs s SER 31 N -3.12 0.62 0.57 0.27 0.15 -1.26 -5.02 113.70 105.90 3mhs s SER 31 Ca 0.66 -0.08 0.27 0.00 0.70 0.00 0.00 55.95 57.51 3mhs s SER 31 Cb -0.21 -0.25 1.69 0.00 -1.71 0.00 0.00 66.02 65.55 3mhs s SER 31 CO 0.60 -0.04 2.21 4.11 1.20 0.00 0.00 173.24 181.32 3mhs h TRP 32 N 6.85 0.00 0.00 3.44 5.08 -2.04 -1.61 115.95 127.66 3mhs h TRP 32 Ca -0.37 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.60 3mhs h TRP 32 Cb 1.16 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.32 3mhs h TRP 32 CO 0.47 0.02 0.00 1.63 -1.28 0.00 0.00 178.44 179.29 3mhs n LYS 33 N -3.91 0.05 0.30 0.12 5.02 -1.26 -2.41 118.16 116.07 3mhs n LYS 33 Ca -0.03 0.23 0.17 0.00 -2.02 0.00 0.00 58.31 56.66 3mhs n LYS 33 Cb 0.11 -1.59 0.98 0.00 -0.02 0.00 0.00 35.03 34.51 3mhs n LYS 33 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3mhs h SER 34 N 0.00 0.00 0.63 4.39 4.64 -1.71 -2.76 113.55 118.74 3mhs h SER 34 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mhs h SER 34 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3mhs h SER 34 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 3mhs n LEU 35 N -3.65 0.00 -0.25 5.97 4.77 -1.01 -4.17 117.00 118.66 3mhs n LEU 35 Ca -0.02 0.42 -0.05 0.00 -0.03 0.00 0.00 56.01 56.33 3mhs n LEU 35 Cb 0.11 -0.42 0.09 0.00 -2.33 0.00 0.00 43.42 40.88 3mhs n LEU 35 CO 0.25 -0.11 1.02 -0.03 -1.33 0.00 0.00 177.39 177.20 3mhs h MET 36 N 0.00 1.11 -0.01 3.23 4.05 -1.73 -1.23 114.93 120.34 3mhs h MET 36 Ca 0.00 -0.21 0.01 0.00 -0.28 0.00 0.00 59.70 59.21 3mhs h MET 36 Cb 0.32 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 30.93 3mhs h MET 36 CO 0.00 0.92 -0.03 0.77 0.23 0.00 0.00 176.91 178.80 3mhs h SER 37 N 1.07 -0.09 -0.29 1.39 0.02 -1.83 -0.86 113.55 112.96 3mhs h SER 37 Ca 0.24 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.16 3mhs h SER 37 Cb 0.25 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 3mhs h SER 37 CO -0.01 -0.04 -0.02 -1.28 -1.14 0.00 0.00 176.83 174.33 3mhs h SER 38 N -0.05 0.52 -0.84 3.07 0.87 -1.81 -3.16 113.55 112.15 3mhs h SER 38 Ca 0.02 -0.33 0.09 0.00 -1.23 0.00 0.00 61.79 60.34 3mhs h SER 38 Cb 0.07 -0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 61.83 3mhs h SER 38 CO -0.04 0.72 0.55 0.00 -0.53 0.00 0.00 176.83 177.52 3mhs h ALA 39 N 0.82 1.66 -0.01 6.23 0.00 -0.99 -1.01 119.26 125.96 3mhs h ALA 39 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3mhs h ALA 39 Cb 0.46 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3mhs h ALA 39 CO 0.02 0.18 0.01 0.87 0.00 0.00 0.00 179.25 180.33 3mhs h LYS 40 N 0.85 0.00 -0.03 0.00 1.57 -1.12 -2.31 116.57 115.53 3mhs h LYS 40 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 3mhs h LYS 40 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3mhs h LYS 40 CO -0.15 0.00 -0.11 -0.25 -0.57 0.00 0.00 179.45 178.37 3mhs n ASP 41 N -4.23 2.72 -4.63 0.86 8.00 -0.42 -4.95 116.55 113.91 3mhs n ASP 41 Ca -0.03 -1.86 -0.34 0.00 0.71 0.00 0.00 54.79 53.27 3mhs n ASP 41 Cb 0.09 0.11 -0.10 0.00 -0.02 0.00 0.00 41.12 41.21 3mhs n ASP 41 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3mhs s THR 42 N -2.05 4.75 0.87 -3.53 2.01 -0.87 -5.09 115.64 111.73 3mhs s THR 42 Ca 0.25 -0.05 -0.12 0.00 0.31 0.00 0.00 61.69 62.09 3mhs s THR 42 Cb 0.19 -3.14 0.12 0.00 0.01 0.00 0.00 72.50 69.68 3mhs s THR 42 CO 0.35 0.46 1.17 -2.65 -0.69 0.00 0.00 174.62 173.26 3mhs n PRO 43 N 3.55 -0.16 -1.59 4.92 -0.02 -1.26 -4.89 135.00 135.55 3mhs n PRO 43 Ca -0.17 0.03 -0.51 0.00 -2.02 0.00 0.00 63.50 60.83 3mhs n PRO 43 Cb 0.52 -2.40 -0.06 0.00 -0.02 0.00 0.00 33.50 31.54 3mhs n PRO 43 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3mhs n LEU 44 N -3.77 1.66 -4.54 2.45 7.94 -1.26 -4.98 117.00 114.49 3mhs n LEU 44 Ca 0.13 1.12 -0.29 0.00 -1.11 0.00 0.00 56.01 55.86 3mhs n LEU 44 Cb 0.51 -1.20 -0.10 0.00 0.53 0.00 0.00 43.42 43.16 3mhs n LEU 44 CO 0.49 -1.07 -0.45 -1.10 -1.11 0.00 0.00 177.39 174.14 3mhs s GLN 45 N 0.33 1.98 0.08 1.96 -1.52 -1.26 -5.10 119.66 116.13 3mhs s GLN 45 Ca 0.82 -1.12 0.06 0.00 -1.95 0.00 0.00 55.36 53.17 3mhs s GLN 45 Cb -0.93 -2.21 -0.04 0.00 -0.22 0.00 0.00 33.01 29.61 3mhs s GLN 45 CO 0.48 0.49 -0.07 0.71 -0.25 0.00 0.00 175.29 176.64 3mhs s TYR 46 N -1.25 2.83 0.13 0.91 2.02 -1.26 -5.04 117.35 115.69 3mhs s TYR 46 Ca 0.20 -0.10 -0.14 0.00 -0.37 0.00 0.00 57.07 56.66 3mhs s TYR 46 Cb -0.11 -1.49 -0.01 0.00 -0.40 0.00 0.00 41.96 39.95 3mhs s TYR 46 CO 0.12 0.42 1.60 0.22 -1.57 0.00 0.00 175.55 176.35 3mhs h ASP 47 N 3.78 0.71 -0.31 2.29 3.58 -2.02 -3.36 116.42 121.08 3mhs h ASP 47 Ca -0.48 -0.28 -0.23 0.00 0.42 0.00 0.00 57.03 56.45 3mhs h ASP 47 Cb 1.17 -0.19 -0.39 0.00 1.72 0.00 0.00 39.33 41.64 3mhs h ASP 47 CO 0.54 0.82 -1.06 0.00 -2.88 0.00 0.00 179.24 176.66 3mhs n HIS 48 N -4.45 0.94 -3.77 0.28 1.44 -1.26 -4.89 115.22 103.51 3mhs n HIS 48 Ca -0.00 -1.64 -0.30 0.00 -2.01 0.00 0.00 57.72 53.76 3mhs n HIS 48 Cb 0.27 -0.21 -0.14 0.00 0.12 0.00 0.00 29.99 30.02 3mhs n HIS 48 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 3mhs s MET 49 N -2.66 1.03 0.14 -1.40 -1.94 -1.26 -5.11 119.30 108.10 3mhs s MET 49 Ca 0.31 -1.52 -0.32 0.00 -1.71 0.00 0.00 55.69 52.45 3mhs s MET 49 Cb 0.35 -2.30 -0.11 0.00 2.01 0.00 0.00 34.83 34.78 3mhs s MET 49 CO -0.07 -1.04 1.80 -1.71 -0.01 0.00 0.00 175.02 173.98 3mhs n ASN 50 N 4.30 3.95 -0.11 3.03 2.85 -1.26 -4.40 115.26 123.62 3mhs n ASN 50 Ca 0.02 1.01 -0.08 0.00 -0.11 0.00 0.00 54.58 55.42 3mhs n ASN 50 Cb 0.39 -1.54 -0.00 0.00 1.24 0.00 0.00 39.78 39.87 3mhs n ASN 50 CO 0.00 0.00 0.00 -0.09 -2.11 0.00 0.00 177.26 175.06 3mhs h ARG 51 N 7.95 0.46 -0.31 1.20 2.43 -1.99 -0.51 114.38 123.60 3mhs h ARG 51 Ca -0.45 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 58.58 3mhs h ARG 51 Cb 1.22 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 3mhs h ARG 51 CO 0.95 0.30 -0.24 0.93 -1.51 0.00 0.00 179.97 180.40 3mhs h GLU 52 N 0.47 0.61 -0.21 0.20 4.39 -2.00 -2.10 114.58 115.95 3mhs h GLU 52 Ca 0.13 -0.24 -0.15 0.00 0.34 0.00 0.00 59.36 59.45 3mhs h GLU 52 Cb -0.04 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 3mhs h GLU 52 CO -0.04 0.80 -0.49 0.77 -1.16 0.00 0.00 179.01 178.89 3mhs h SER 53 N 0.54 0.61 -0.83 1.42 0.02 -1.83 -2.38 113.55 111.10 3mhs h SER 53 Ca 0.08 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 3mhs h SER 53 Cb 0.70 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.02 3mhs h SER 53 CO 0.05 1.00 0.52 -0.07 -1.14 0.00 0.00 176.83 177.19 3mhs h LEU 54 N 0.44 0.98 -0.82 5.07 3.38 -0.86 0.15 115.31 123.66 3mhs h LEU 54 Ca 0.02 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 3mhs h LEU 54 Cb 1.02 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 3mhs h LEU 54 CO 0.09 0.74 0.28 0.11 0.09 0.00 0.00 178.44 179.75 3mhs h LYS 55 N 1.14 1.16 -0.01 1.13 1.57 -1.13 -1.58 116.57 118.85 3mhs h LYS 55 Ca 0.30 -0.22 -0.12 0.00 -1.87 0.00 0.00 60.65 58.74 3mhs h LYS 55 Cb -0.08 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 32.06 3mhs h LYS 55 CO -0.06 0.95 -0.45 0.87 -0.57 0.00 0.00 179.45 180.19 3mhs h LYS 56 N 1.12 0.33 0.00 3.15 1.57 -0.89 -3.39 116.57 118.45 3mhs h LYS 56 Ca 0.25 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3mhs h LYS 56 Cb 0.25 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3mhs h LYS 56 CO -0.02 1.02 -1.17 0.66 -0.57 0.00 0.00 179.45 179.38 3mhs n TYR 57 N -4.33 0.00 -4.45 -1.35 4.01 0.48 -4.98 117.16 106.53 3mhs n TYR 57 Ca -0.10 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.41 3mhs n TYR 57 Cb 0.60 -0.13 -0.10 0.00 -0.31 0.00 0.00 39.34 39.39 3mhs n TYR 57 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3mhs s PHE 58 N -2.89 2.17 0.54 -0.72 0.08 -0.60 -5.05 117.98 111.51 3mhs s PHE 58 Ca 0.02 -0.42 -0.20 0.00 0.12 0.00 0.00 56.93 56.45 3mhs s PHE 58 Cb 0.13 -1.00 -0.06 0.00 -0.57 0.00 0.00 43.02 41.52 3mhs s PHE 58 CO 0.75 0.61 1.17 -0.80 -0.10 0.00 0.00 175.22 176.85 3mhs s ASN 59 N -3.48 5.65 0.50 1.36 0.01 -1.26 -4.66 114.94 113.07 3mhs s ASN 59 Ca 0.29 2.30 0.20 0.00 -0.71 0.00 0.00 52.86 54.93 3mhs s ASN 59 Cb -0.03 -2.59 1.29 0.00 0.41 0.00 0.00 41.25 40.33 3mhs s ASN 59 CO 0.13 -1.28 2.09 1.55 -1.51 0.00 0.00 177.10 178.09 3mhs h PRO 60 N 1.32 0.00 -0.43 -0.60 0.13 -1.89 -2.16 132.00 128.37 3mhs h PRO 60 Ca -0.50 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.44 3mhs h PRO 60 Cb 1.27 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.29 3mhs h PRO 60 CO 0.57 0.10 0.04 0.09 -0.23 0.00 0.00 178.00 178.57 3mhs n ASN 61 N -4.16 2.95 -4.69 1.44 3.02 -1.26 -5.01 115.26 107.55 3mhs n ASN 61 Ca -0.03 -3.61 -0.44 0.00 -0.03 0.00 0.00 54.58 50.48 3mhs n ASN 61 Cb 0.18 -0.65 -0.02 0.00 -0.61 0.00 0.00 39.78 38.68 3mhs n ASN 61 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mhs n ALA 62 N -0.99 1.47 -1.76 5.41 0.00 -0.82 -4.97 120.51 118.86 3mhs n ALA 62 Ca 0.35 0.39 -0.40 0.00 0.00 0.00 0.00 53.44 53.78 3mhs n ALA 62 Cb 1.10 -2.31 -0.05 0.00 0.00 0.00 0.00 19.45 18.19 3mhs n ALA 62 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3mhs s GLN 63 N -0.82 4.66 -0.03 0.00 -0.21 -1.26 -5.05 119.66 116.95 3mhs s GLN 63 Ca 0.64 1.67 -0.00 0.00 0.02 0.00 0.00 55.36 57.69 3mhs s GLN 63 Cb -0.59 -3.14 0.03 0.00 1.00 0.00 0.00 33.01 30.30 3mhs s GLN 63 CO 0.53 0.27 0.02 -0.51 -2.12 0.00 0.00 175.29 173.48 3mhs s LEU 64 N -1.50 0.92 -0.22 2.90 1.43 -1.26 -5.10 118.68 115.84 3mhs s LEU 64 Ca 0.45 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.55 3mhs s LEU 64 Cb -0.29 -0.18 0.03 0.00 0.03 0.00 0.00 46.19 45.77 3mhs s LEU 64 CO 0.37 -0.14 -0.12 -0.63 0.23 0.00 0.00 176.35 176.05 3mhs s ILE 65 N 1.31 2.46 0.06 -0.59 1.01 -1.26 -5.11 121.20 119.09 3mhs s ILE 65 Ca -0.06 -1.07 -0.30 0.00 0.00 0.00 0.00 60.65 59.22 3mhs s ILE 65 Cb -0.13 -2.20 -0.05 0.00 0.01 0.00 0.00 42.46 40.09 3mhs s ILE 65 CO -0.03 0.31 1.11 -0.70 0.00 0.00 0.00 174.94 175.63 3mhs s GLU 66 N 1.28 4.51 -1.06 2.79 2.12 -1.26 -4.08 118.70 123.00 3mhs s GLU 66 Ca 0.01 1.64 -0.18 0.00 0.36 0.00 0.00 54.97 56.80 3mhs s GLU 66 Cb -0.16 -3.37 0.00 0.00 0.26 0.00 0.00 34.13 30.87 3mhs s GLU 66 CO -0.08 -0.12 0.73 -0.25 -0.54 0.00 0.00 175.26 175.01 3mhs n ASP 67 N 3.61 -5.30 0.30 -1.70 8.00 -1.26 -4.84 116.55 115.35 3mhs n ASP 67 Ca 0.07 -0.97 0.16 0.00 0.71 0.00 0.00 54.79 54.77 3mhs n ASP 67 Cb 0.48 -2.97 0.93 0.00 -0.02 0.00 0.00 41.12 39.53 3mhs n ASP 67 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3mhs h PRO 68 N -1.52 0.00 -0.58 -0.24 0.13 -1.98 -0.96 132.00 126.86 3mhs h PRO 68 Ca -0.60 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 3mhs h PRO 68 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 3mhs h PRO 68 CO 0.45 0.03 0.00 1.28 -0.23 0.00 0.00 178.00 179.53 3mhs n LEU 69 N -3.56 5.09 -0.02 1.56 4.32 -1.26 -4.57 117.00 118.55 3mhs n LEU 69 Ca -0.02 -2.70 -0.09 0.00 -0.02 0.00 0.00 56.01 53.17 3mhs n LEU 69 Cb 0.14 -0.62 -0.04 0.00 -1.62 0.00 0.00 43.42 41.28 3mhs n LEU 69 CO 0.26 0.72 0.85 -0.78 -1.22 0.00 0.00 177.39 177.23 3mhs h ASP 70 N 3.81 -0.10 -4.73 -1.43 3.58 -1.51 -3.45 116.42 112.59 3mhs h ASP 70 Ca 0.00 0.04 -0.28 0.00 0.42 0.00 0.00 57.03 57.21 3mhs h ASP 70 Cb 1.67 0.08 -0.15 0.00 1.72 0.00 0.00 39.33 42.65 3mhs h ASP 70 CO 0.34 -0.03 -0.65 -1.59 -2.88 0.00 0.00 179.24 174.44 3mhs s LYS 71 N -6.20 1.16 1.01 0.28 -2.85 -1.26 -5.14 119.74 106.74 3mhs s LYS 71 Ca -0.13 -1.58 -0.11 0.00 -1.00 0.00 0.00 55.97 53.15 3mhs s LYS 71 Cb 0.09 -0.15 0.20 0.00 -2.06 0.00 0.00 37.83 35.91 3mhs s LYS 71 CO 0.68 -0.21 1.09 -1.25 0.10 0.00 0.00 175.35 175.76 3mhs s PRO 72 N -3.98 0.26 0.14 1.78 0.04 -1.26 -4.86 135.00 127.12 3mhs s PRO 72 Ca 0.28 1.17 -0.34 0.00 0.04 0.00 0.00 61.00 62.16 3mhs s PRO 72 Cb 0.07 -1.67 -0.14 0.00 0.04 0.00 0.00 34.50 32.80 3mhs s PRO 72 CO 0.06 -3.03 1.60 -0.89 0.04 0.00 0.00 177.00 174.78 3mhs n ILE 73 N -4.47 0.04 -3.27 0.56 2.08 -1.26 -4.94 119.36 108.11 3mhs n ILE 73 Ca 0.08 -0.01 -0.41 0.00 0.56 0.00 0.00 62.75 62.97 3mhs n ILE 73 Cb 0.53 -1.55 -0.08 0.00 -0.75 0.00 0.00 39.64 37.79 3mhs n ILE 73 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 3mhs s GLN 74 N 1.13 3.72 0.13 0.38 -1.52 -1.26 -5.02 119.66 117.22 3mhs s GLN 74 Ca 0.80 -0.09 -0.25 0.00 -1.95 0.00 0.00 55.36 53.86 3mhs s GLN 74 Cb -0.68 -3.77 0.07 0.00 -0.22 0.00 0.00 33.01 28.40 3mhs s GLN 74 CO 0.39 -0.56 0.85 1.52 -0.25 0.00 0.00 175.29 177.24 3mhs s TYR 75 N 2.33 -0.26 0.15 0.91 1.13 -1.26 -4.26 117.35 116.09 3mhs s TYR 75 Ca 0.18 -0.02 0.03 0.00 -1.41 0.00 0.00 57.07 55.85 3mhs s TYR 75 Cb -0.16 0.61 -0.05 0.00 -1.10 0.00 0.00 41.96 41.27 3mhs s TYR 75 CO 0.12 -0.82 -0.05 1.03 -2.51 0.00 0.00 175.55 173.32 3mhs s ARG 76 N -3.41 1.05 -0.13 -3.49 0.52 -0.86 -4.96 118.95 107.67 3mhs s ARG 76 Ca 0.09 -1.47 -0.01 0.00 -0.52 0.00 0.00 55.73 53.81 3mhs s ARG 76 Cb -0.02 -0.41 -0.02 0.00 0.52 0.00 0.00 34.95 35.02 3mhs s ARG 76 CO -0.02 -0.03 -0.10 0.08 0.02 0.00 0.00 175.30 175.25 3mhs s VAL 77 N -3.51 3.38 0.19 3.52 1.01 -1.26 -0.11 120.40 123.61 3mhs s VAL 77 Ca 0.19 -0.55 -0.31 0.00 0.00 0.00 0.00 61.98 61.31 3mhs s VAL 77 Cb 0.05 -2.44 -0.11 0.00 0.00 0.00 0.00 36.38 33.88 3mhs s VAL 77 CO 0.01 0.52 1.60 0.00 0.00 0.00 0.00 175.10 177.23 3mhs h GLU 79 N 6.49 0.13 0.07 0.00 4.39 -1.96 0.11 114.58 123.80 3mhs h GLU 79 Ca -0.43 -0.05 -0.18 0.00 0.34 0.00 0.00 59.36 59.04 3mhs h GLU 79 Cb 1.21 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.84 3mhs h GLU 79 CO 0.90 0.44 -0.88 0.87 -1.16 0.00 0.00 179.01 179.19 3mhs h LYS 80 N 0.12 0.15 -0.00 2.33 1.57 -1.99 -3.41 116.57 115.32 3mhs h LYS 80 Ca 0.02 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3mhs h LYS 80 Cb 0.63 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.03 3mhs h LYS 80 CO 0.05 1.12 -0.06 0.00 -0.57 0.00 0.00 179.45 179.99 3mhs n GLY 82 N 0.60 0.41 3.75 0.00 0.00 0.02 -4.98 105.19 105.00 3mhs n GLY 82 Ca 0.01 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 3mhs n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mhs s LYS 83 N -0.75 4.54 -0.11 1.61 1.02 -1.26 -4.59 119.74 120.20 3mhs s LYS 83 Ca 0.00 1.90 -0.30 0.00 0.02 0.00 0.00 55.97 57.59 3mhs s LYS 83 Cb 0.00 -3.18 -0.02 0.00 -0.52 0.00 0.00 37.83 34.11 3mhs s LYS 83 CO 0.00 0.05 1.14 -1.25 -0.92 0.00 0.00 175.35 174.37 3mhs s PRO 84 N -1.12 4.33 -0.10 -1.68 0.04 -1.26 -1.24 135.00 133.97 3mhs s PRO 84 Ca 0.48 1.56 0.03 0.00 0.04 0.00 0.00 61.00 63.11 3mhs s PRO 84 Cb -0.34 -3.61 -0.00 0.00 0.04 0.00 0.00 34.50 30.59 3mhs s PRO 84 CO 0.42 -0.50 -0.22 -0.51 0.04 0.00 0.00 177.00 176.23 3mhs s LEU 85 N 2.57 2.22 0.65 -3.56 1.43 0.84 -4.97 118.68 117.86 3mhs s LEU 85 Ca 0.52 -0.51 -0.18 0.00 -1.03 0.00 0.00 54.13 52.93 3mhs s LEU 85 Cb -0.21 -1.45 -0.01 0.00 0.03 0.00 0.00 46.19 44.55 3mhs s LEU 85 CO 0.17 0.17 1.30 0.00 0.23 0.00 0.00 176.35 178.22 3mhs s ALA 86 N 0.31 2.39 0.42 4.21 0.00 -1.26 -2.02 121.76 125.81 3mhs s ALA 86 Ca -0.16 1.23 0.10 0.00 0.00 0.00 0.00 51.96 53.12 3mhs s ALA 86 Cb -0.17 -3.56 0.93 0.00 0.00 0.00 0.00 23.12 20.32 3mhs s ALA 86 CO 0.08 -1.61 2.04 -0.07 0.00 0.00 0.00 175.76 176.20 3mhs h LEU 87 N 0.57 0.42 0.00 0.00 -0.00 -1.94 0.13 115.31 114.48 3mhs h LEU 87 Ca -0.51 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.37 3mhs h LEU 87 Cb 1.34 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.90 3mhs h LEU 87 CO 0.53 0.29 0.00 0.35 -0.00 0.00 0.00 178.44 179.61 3mhs n THR 88 N -4.48 0.28 0.75 0.22 -2.24 -1.26 -3.23 114.28 104.33 3mhs n THR 88 Ca 0.05 0.07 0.08 0.00 -2.27 0.00 0.00 64.05 61.98 3mhs n THR 88 Cb 0.16 -0.67 0.01 0.00 -2.10 0.00 0.00 70.33 67.72 3mhs n THR 88 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mhs n ALA 89 N -1.35 3.13 -0.09 6.98 0.00 0.44 -4.69 120.51 124.94 3mhs n ALA 89 Ca 0.10 -0.56 -0.13 0.00 0.00 0.00 0.00 53.44 52.85 3mhs n ALA 89 Cb 0.21 -0.59 -0.05 0.00 0.00 0.00 0.00 19.45 19.02 3mhs n ALA 89 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3mhs h ILE 90 N 2.07 1.31 -0.72 0.00 2.04 -1.50 -3.15 117.51 117.55 3mhs h ILE 90 Ca 0.00 -1.37 -0.00 0.00 1.00 0.00 0.00 64.86 64.48 3mhs h ILE 90 Cb 0.59 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 3mhs h ILE 90 CO 0.00 0.43 0.43 0.58 0.00 0.00 0.00 178.15 179.59 3mhs h VAL 91 N 0.35 1.21 -0.00 1.67 2.07 -1.83 -2.62 116.25 117.08 3mhs h VAL 91 Ca 0.05 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3mhs h VAL 91 Cb 0.77 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3mhs h VAL 91 CO 0.06 0.22 -0.13 0.47 0.02 0.00 0.00 177.57 178.21 3mhs n ASP 92 N -4.52 0.23 -4.67 0.57 8.00 -1.24 -4.89 116.55 110.02 3mhs n ASP 92 Ca 0.06 -0.04 -0.42 0.00 0.71 0.00 0.00 54.79 55.10 3mhs n ASP 92 Cb 0.06 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 40.93 3mhs n ASP 92 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3mhs s HIS 93 N -2.79 2.79 0.32 1.24 5.65 -0.99 -5.03 115.29 116.49 3mhs s HIS 93 Ca 0.20 0.88 0.09 0.00 0.25 0.00 0.00 55.06 56.47 3mhs s HIS 93 Cb 0.19 -3.59 -0.06 0.00 -1.18 0.00 0.00 32.58 27.94 3mhs s HIS 93 CO 0.54 -2.14 -0.08 -0.51 -0.65 0.00 0.00 174.74 171.89 3mhs s LEU 94 N 3.00 2.64 0.00 8.88 1.43 -1.26 -5.07 118.68 128.29 3mhs s LEU 94 Ca 0.60 -1.19 0.30 0.00 -1.03 0.00 0.00 54.13 52.81 3mhs s LEU 94 Cb -0.27 -0.87 1.44 0.00 0.03 0.00 0.00 46.19 46.52 3mhs s LEU 94 CO 0.22 -0.25 1.97 -0.62 0.23 0.00 0.00 176.35 177.89